Information card for entry 7049309

Structure parameters

• Formula: C70 H88 K2 N14 O14 Sn
• Calculated formula: C70 H88 K2 N14 O14 Sn
• Title of publication: Coordination-induced metal-to-macrocycle charge transfer and effect of cations on reorientation of the CN ligand in the {SnL₂Mac}^2- dianions (L = CN^-, OCN^-, Im^-; Mac = phthalo- or naphthalocyanine).
• Authors of publication: Konarev, Dmitri V.; Kuzmin, Alexey V.; Shestakov, Alexander F.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 4961 - 4972
• a: 12.9251 ± 0.0007 Å
• b: 13.245 ± 0.0006 Å
• c: 13.5088 ± 0.0007 Å
• α: 99.141 ± 0.004°
• β: 110.94 ± 0.005°
• γ: 114.613 ± 0.005°
• Cell volume: 1830.2 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No